ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate

C15H23N3O3 — CID 43406111

IUPACethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)12-5-7-18(8-6-12)14(19)9-13-10(2)16-17-11(13)3/h12H,4-9H2,1-3H3,(H,16,17)
InChIKeyZTIJBQISEANBRV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.37
Rot. Bonds4

About ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate (PubChem CID 43406111) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate
PubChem CID43406111
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)12-5-7-18(8-6-12)14(19)9-13-10(2)16-17-11(13)3/h12H,4-9H2,1-3H3,(H,16,17)
InChIKeyZTIJBQISEANBRV-UHFFFAOYSA-N
XLogP1.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate (CID 43406111) is ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1.
What is the InChIKey of ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is ZTIJBQISEANBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-21-15(20)12-5-7-18(8-6-12)14(19)9-13-10(2)16-17-11(13)3/h12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43406111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).